Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:00 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171603
Frequency0.5
Structure
Chemical FormulaC9H16N2O6
Molecular Mass248.1008
SMILESCN(CCC(N)C(=O)O)C(CC(=O)O)C(=O)O
InChI KeyNLUYFEPOCFQKFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • tricarboxylic acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • tertiary aliphatic amine
  • tricarboxylic acid or derivatives
  • amino fatty acid
  • organic oxide
  • organic oxygen compound
  • alpha-amino acid
  • aspartic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound